4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C24H22N2O5S — CID 18701737

IUPAC4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1cccc(OC)c1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H22N2O5S/c1-29-19-9-6-10-20(30-2)22(19)23-24(17-11-13-18(14-12-17)32(25,27)28)31-21(26-23)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H2,25,27,28)
InChIKeyOCKFNLYLXNRDQD-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.26
Rot. Bonds7

About 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701737) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701737
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1cccc(OC)c1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H22N2O5S/c1-29-19-9-6-10-20(30-2)22(19)23-24(17-11-13-18(14-12-17)32(25,27)28)31-21(26-23)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H2,25,27,28)
InChIKeyOCKFNLYLXNRDQD-UHFFFAOYSA-N
XLogP4.26
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701737) is 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is COc1cccc(OC)c1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is OCKFNLYLXNRDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-29-19-9-6-10-20(30-2)22(19)23-24(17-11-13-18(14-12-17)32(25,27)28)31-21(26-23)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).